1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile

C17H29N3 — CID 79570317

IUPAC1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCCN1CCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C17H29N3/c1-2-16-6-4-11-20(16)12-9-14-5-3-10-17(14,13-18)19-15-7-8-15/h14-16,19H,2-12H2,1H3
InChIKeyVTTKKNXSFSERRV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.07
Rot. Bonds6

About 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79570317) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79570317
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCCN1CCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C17H29N3/c1-2-16-6-4-11-20(16)12-9-14-5-3-10-17(14,13-18)19-15-7-8-15/h14-16,19H,2-12H2,1H3
InChIKeyVTTKKNXSFSERRV-UHFFFAOYSA-N
XLogP3.07
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577480
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403
1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577625
1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577634
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79576357
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331
1-(cyclopropylamino)-2-[2-[cyclopropylmethyl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79573105
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79573800
2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 104691569

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile (CID 79570317) is 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile is CCC1CCCN1CCC1CCCC1(C#N)NC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is VTTKKNXSFSERRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-16-6-4-11-20(16)12-9-14-5-3-10-17(14,13-18)19-15-7-8-15/h14-16,19H,2-12H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 275.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79570317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).